Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8WUU5
UPID:
GATD1_HUMAN
Alternative names:
Ocular development-associated gene protein
Alternative UPACC:
Q8WUU5; B2RE37; D6W5Q5; Q8N5Y5; Q99995; Q9H689
Background:
GATA zinc finger domain-containing protein 1, also known as the ocular development-associated gene protein, plays a crucial role in chromatin remodeling. It specifically binds to chromatin sites methylated at 'Lys-4' of histone H3 (H3K4me), showing a preference for the trimethylated form (H3K4me3).
Therapeutic significance:
Linked to Cardiomyopathy, dilated, 2B, a severe heart disorder characterized by ventricular dilation and impaired systolic function, GATA zinc finger domain-containing protein 1's involvement suggests potential therapeutic targets for treating heart failure and arrhythmia.